Photothermal therapy (PTT) and photoacoustic imaging (PAI) are two promising non-invasive techniques for cancer treatment and diagnosis. This review discusses the development and advancements in inorganic and organic nano photothermal transduction agents (PTAs) for PTT, including strategies to enhance PTT outcomes such as appropriate laser dosage, imaging guidance, absorption in the second near-infrared (NIR) window, and increased photothermal conversion efficiency (PCE). The advantages of combining PTT with other therapies are also highlighted. PAI, which generates acoustic waves from the photothermal effect, is introduced as an emerging imaging modality for cancer research. The review covers the classification and characteristics of PTAs, including noble metal materials, graphene and graphene analogue-based PTAs, other inorganic PTAs, and small molecule-based PTAs. It also discusses the design and fabrication of organic molecular PTAs, focusing on cyanine dyes, porphyrins, and semiconducting polymer nanoparticles (SPNPs). The potential of SPNPs in PTT is emphasized due to their excellent optical properties and photostability. Finally, the perspectives and challenges of PTT and PAI in combating cancer, particularly their clinical translation, are discussed.Photothermal therapy (PTT) and photoacoustic imaging (PAI) are two promising non-invasive techniques for cancer treatment and diagnosis. This review discusses the development and advancements in inorganic and organic nano photothermal transduction agents (PTAs) for PTT, including strategies to enhance PTT outcomes such as appropriate laser dosage, imaging guidance, absorption in the second near-infrared (NIR) window, and increased photothermal conversion efficiency (PCE). The advantages of combining PTT with other therapies are also highlighted. PAI, which generates acoustic waves from the photothermal effect, is introduced as an emerging imaging modality for cancer research. The review covers the classification and characteristics of PTAs, including noble metal materials, graphene and graphene analogue-based PTAs, other inorganic PTAs, and small molecule-based PTAs. It also discusses the design and fabrication of organic molecular PTAs, focusing on cyanine dyes, porphyrins, and semiconducting polymer nanoparticles (SPNPs). The potential of SPNPs in PTT is emphasized due to their excellent optical properties and photostability. Finally, the perspectives and challenges of PTT and PAI in combating cancer, particularly their clinical translation, are discussed.